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Modified embedded-atom method interatomic potential for the Fe–Al system
Journal of Physics: Condensed Matter, 2010 An interatomic potential for the Fe-Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe-Al binary alloys--structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects--in ...
Lee, E, Lee, BJ
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Determination of modified embedded atom method parameters for nickel
Materials Chemistry and Physics, 1997The modified embedded atom method (MEAM) is an empirical extension of the embedded atom method that includes angular forces. A detailed study is presented to show the effect of various MEAM parameters on the calculated properties of a model material, nickel. Over 50 physical properties of nickel are calculated for four MEAM potentials. It is found that,
M I Baskes
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Modified embedded-atom method interatomic potentials for Ti and Zr
Physical Review B, 2006 Semiempirical interatomic potentials for hcp elements, Ti and Zr, have been developed based on the MEAM (modified embedded-atom method) formalism. The new potentials do not cause the stability problem previously reported in MEAM for hcp elements, and describe wide range of physical properties (bulk properties, point defect properties, planar defect ...
Kim, YM, Lee, BJ, Baskes, MI
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A modified embedded-atom method interatomic potential for the Fe–C system
Acta Materialia, 2006Abstract A modified embedded-atom method (MEAM) interatomic potential for the Fe–C binary system has been developed using previous MEAM potentials of Fe and C. The potential parameters were determined by fitting to experimental information on the dilute heat of solution of carbon, the vacancy–carbon binding energy and its configuration, the location ...
Byeong-Joo Lee
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Calculation of the surface energy of bcc metals by using the modified embedded‐atom method
Surface and Interface Analysis, 2003Abstract The surface energies for 24 surfaces of bcc metals Li, Na, K, V, Nb, Ta, Cr, Mo, W and Fe have been calculated by using the modified embedded‐atom method. The results show that for most bcc metals the lowest surface energies correspond to the (110) surface, as predicted from the bcc lattice, and the highest surface energies ...
Jian-Min Zhang, Dou-Dou Wang, Ke-Wei Xu
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Modified embedded-atom method interatomic potential for Mg–Y alloys
Modelling and Simulation in Materials Science and Engineering, 2018 An interatomic potential for the Mg–Y binary system is developed within the framework of the second-nearest-neighbor modified embedded-atom method (MEAM) based on a very good MEAM potential for pure Mg. The Mg–Y potential is fitted to a range of key physical properties, either experimental or computed by first-principles methods, including the Y ...
Rasool Ahmad +3 more
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A modified embedded-atom method interatomic potential for the V–H system
Calphad, 2011 Abstract An interatomic potential for the vanadium–hydrogen binary system has been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) potential formalism, in combination with the previously developed potentials for V and H.
Shim, JH +5 more
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Modified embedded-atom method interatomic potentials for the Fe–Nb and Fe–Ti binary systems
Scripta Materialia, 2008 A semi-empirical interatomic potential formalism, the second-nearest-neighbor modified embedded-atom method (2NN MEAM), has been applied to obtain interatomic potentials for Fe-Nb and Fe-Ti systems based on the previously developed potentials for pure Fe,
Byeong-Joo Lee
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A modified embedded-atom method interatomic potential for bismuth
Modelling and Simulation in Materials Science and Engineering, 2021Abstract A semi-empirical interatomic potential for the post-transition metal, bismuth, is developed based on the second nearest-neighbor modified embedded-atom method (MEAM). The potential reproduces a range of physical properties, such as the lattice constant, cohesive energy, elastic constants, vacancy formation energy, surface ...
Henan Zhou +4 more
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Modified embedded-atom method interatomic potentials for pure Mn and the Fe–Mn system
Acta Materialia, 2009 Modified embedded-atom method (MEAM) interatomic potentials for pure Mn and the Fe-Mn binary system have been developed using a previously developed MEAM potential for Fe.
Young-Min Kim +2 more
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